(+)-Miliusane Vii
| Internal ID | 0c1662fe-fe1b-4568-bab9-a9e7b5230678 |
| Taxonomy | Organoheterocyclic compounds > Lactones > Gamma butyrolactones |
| IUPAC Name | [(1R,5R,8S,9S)-1-[(1E)-2,6-dimethylhepta-1,5-dienyl]-8-methoxy-3,6-dioxo-2-oxaspiro[4.5]decan-9-yl] acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C21H30O6/c1-13(2)7-6-8-14(3)9-19-21(12-20(24)27-19)11-17(26-15(4)22)16(25-5)10-18(21)23/h7,9,16-17,19H,6,8,10-12H2,1-5H3/b14-9+/t16-,17-,19+,21-/m0/s1 |
| InChI Key | YGWPHAWAXUILGD-SEAGZFCKSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C21H30O6 |
| Molecular Weight | 378.50 g/mol |
| Exact Mass | 378.20423867 g/mol |
| Topological Polar Surface Area (TPSA) | 78.90 Ų |
| XlogP | 2.80 |
| ((1R,5R,8S,9S)-1-((1E)-2,6-dimethylhepta-1,5-dienyl)-8-methoxy-3,6-dioxo-2-oxaspiro(4.5)decan-9-yl) acetate |
| [(1R,5R,8S,9S)-1-[(1E)-2,6-dimethylhepta-1,5-dienyl]-8-methoxy-3,6-dioxo-2-oxaspiro[4.5]decan-9-yl] acetate |
| RefChem:67441 |
| CHEMBL201123 |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.64% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.36% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.13% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.38% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.32% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.93% | 85.14% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.70% | 99.17% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.78% | 99.23% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.33% | 91.19% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.05% | 94.75% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.08% | 86.33% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 82.22% | 98.03% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.81% | 91.07% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| Miliusa balansae |
| PubChem | 11675276 |
| NPASS | NPC233437 |
| ChEMBL | CHEMBL201123 |
| LOTUS | LTS0011047 |
| wikiData | Q105348297 |